SCHEMBL4591644

SCHEMBL4591644

CNC(=O)c1cc(F)ccc1Cc1cnc2c(O)c(C(=O)O)c(=O)n(C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HIF1A Q16665 9/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AHR P35869 1/20 0.34
LIPG Q9Y5X9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPK14 Q16539 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
NLRP3 Q96P20 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4591077 0.92 MEN1 (0.39) MEN1KMT2AHIF1ANPC1RAB9A
SCHEMBL4576219 0.91 HIF1A (0.35) MEN1KMT2AHIF1AAHRL3MBTL1
SCHEMBL4906999 0.89 KDM4E (0.45) MEN1KMT2AHIF1ANPC1RAB9A
SCHEMBL5545343 0.88 MEN1 (0.36) MEN1KMT2AHIF1ANPC1RAB9A
SCHEMBL4575647 0.88 GRIN2B (0.34) MEN1KMT2AHIF1AMAPK14
SCHEMBL4904935 0.87 MEN1 (0.41) MEN1KMT2AHIF1ANPC1RAB9A
SCHEMBL4591168 0.86 HCRTR1 (0.33) MEN1KMT2AHIF1A
SCHEMBL4575726 0.86 GRIN2B (0.35) MEN1KMT2AHIF1A
SCHEMBL5548083 0.86 MEN1 (0.35) MEN1KMT2AHIF1A
SCHEMBL4576606 0.86 MEN1 (0.37) MEN1KMT2AHIF1ANPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US claimed
EP-1910363-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP claimed
WO-2007019098-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO claimed
EP-1910363-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP disclosed
WO-2007019098-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 MEN1 4841/4885KMT2A 682/4885HIF1A 3129/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.